AJ6
Summary
| Name: | 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one |
| Formula: | C16 H13 Cl N2 O |
| Formal charge: | 0 |
| Formula weight: | 284.74 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 7-(4-amino-2-chlorophenyl)-4-methylquinolin-2(1H)-one |
| OpenEye OEToolkits | 1.7.6 | 7-(4-azanyl-2-chloranyl-phenyl)-4-methyl-1H-quinolin-2-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Clc3cc(N)ccc3c1ccc2c(c1)NC(=O)C=C2C |
| InChI | InChI | 1.03 | InChI=1S/C16H13ClN2O/c1-9-6-16(20)19-15-7-10(2-4-12(9)15)13-5-3-11(18)8-14(13)17/h2-8H,18H2,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | IQDLYUBWYUECEE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | CC1=CC(=O)Nc2cc(ccc12)c3ccc(N)cc3Cl |
| SMILES | CACTVS | 3.370 | CC1=CC(=O)Nc2cc(ccc12)c3ccc(N)cc3Cl |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)N |
| SMILES | OpenEye OEToolkits | 1.7.6 | CC1=CC(=O)Nc2c1ccc(c2)c3ccc(cc3Cl)N |
